2-tert-butyl-1-(2-methoxy-2-oxoethyl)benzimidazole-4-carboxylic acid

C15H18N2O4 — CID 115542843

IUPAC2-tert-butyl-1-(2-methoxy-2-oxoethyl)benzimidazole-4-carboxylic acid
SMILESCOC(=O)Cn1c(C(C)(C)C)nc2c(C(=O)O)cccc21
InChIInChI=1S/C15H18N2O4/c1-15(2,3)14-16-12-9(13(19)20)6-5-7-10(12)17(14)8-11(18)21-4/h5-7H,8H2,1-4H3,(H,19,20)
InChIKeyDGXAVENUCHKFJI-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.20
Rot. Bonds3

About 2-tert-butyl-1-(2-methoxy-2-oxoethyl)benzimidazole-4-carboxylic acid

2-tert-butyl-1-(2-methoxy-2-oxoethyl)benzimidazole-4-carboxylic acid (PubChem CID 115542843) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-tert-butyl-1-(2-methoxy-2-oxoethyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-1-(2-methoxy-2-oxoethyl)benzimidazole-4-carboxylic acid
PubChem CID115542843
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-tert-butyl-1-(2-methoxy-2-oxoethyl)benzimidazole-4-carboxylic acid
SMILESCOC(=O)Cn1c(C(C)(C)C)nc2c(C(=O)O)cccc21
InChIInChI=1S/C15H18N2O4/c1-15(2,3)14-16-12-9(13(19)20)6-5-7-10(12)17(14)8-11(18)21-4/h5-7H,8H2,1-4H3,(H,19,20)
InChIKeyDGXAVENUCHKFJI-UHFFFAOYSA-N
XLogP2.20
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-1-(2-methoxy-2-oxoethyl)benzimidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-1-propylbenzimidazole-4-carboxylic acid
CID 113332177
2-tert-butyl-1-(3-methoxypropyl)benzimidazole-4-carboxylic acid
CID 115543023
2-tert-butyl-1-(cyclobutylmethyl)benzimidazole-4-carboxylic acid
CID 115543040
2-tert-butyl-1-(3-methylbutan-2-yl)benzimidazole-4-carboxylic acid
CID 115542872
propan-2-yl 2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetate
CID 82067496
methyl 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzimidazole-4-carboxylate
CID 164884368
2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide
CID 82067484
1-(2-methoxyethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543015
1-(2-ethoxyethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid
CID 115543142
2-propan-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole-4-carboxylic acid
CID 115542946
1-(4-methoxybutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543377
methyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate
CID 60789228

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(2-methoxy-2-oxoethyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 2-tert-butyl-1-(2-methoxy-2-oxoethyl)benzimidazole-4-carboxylic acid (CID 115542843) is 2-tert-butyl-1-(2-methoxy-2-oxoethyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-1-(2-methoxy-2-oxoethyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-tert-butyl-1-(2-methoxy-2-oxoethyl)benzimidazole-4-carboxylic acid is COC(=O)Cn1c(C(C)(C)C)nc2c(C(=O)O)cccc21.
What is the InChIKey of 2-tert-butyl-1-(2-methoxy-2-oxoethyl)benzimidazole-4-carboxylic acid?
The InChIKey is DGXAVENUCHKFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-15(2,3)14-16-12-9(13(19)20)6-5-7-10(12)17(14)8-11(18)21-4/h5-7H,8H2,1-4H3,(H,19,20).
What are the key properties of 2-tert-butyl-1-(2-methoxy-2-oxoethyl)benzimidazole-4-carboxylic acid?
2-tert-butyl-1-(2-methoxy-2-oxoethyl)benzimidazole-4-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(2-methoxy-2-oxoethyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115542843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).